SCHEMBL6316073

SCHEMBL6316073

COCC(C)NC(=O)c1c(-c2ccc(C)o2)noc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 4/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACACB O00763 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6316380 0.88 CA1 (0.53) HPGDPOLBALDH1A1ATMNPC1
SCHEMBL6316838 0.88 TSHR (0.43) HPGDPOLBALDH1A1NPC1KDM4E
SCHEMBL6324742 0.87 ACACB (0.42) ALDH1A1RAB9AACACBCA1CA2
SCHEMBL6316527 0.86 ACACB (0.41) HPGDPOLBALDH1A1NPC1RAB9A
SCHEMBL885646 0.84 CA1 (0.39) RAB9ASMN1; SMN2ACACBCA1CA2
SCHEMBL6316184 0.83 TAS1R3 (0.40) POLBALDH1A1SMN1; SMN2ACACBCA1
SCHEMBL6323412 0.83 CA1 (0.43) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL6324336 0.83 NPC1 (0.47) HPGDPOLBALDH1A1ATMNPC1
SCHEMBL6315876 0.82 TAS1R3 (0.40) ALDH1A1SMN1; SMN2ACACBCA1CA2
SCHEMBL6316427 0.82 CA1 (0.42) ALDH1A1RAB9AACACBCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 HPGD 2923/4885POLB 872/4885ALDH1A1 4444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.